CID 71601078

1356600-78-6

Structural Information

Molecular Formula
C11H13NO5
SMILES
CC(C)(C)OC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C11H13NO5/c1-11(2,3)17-10(14)8-5-4-7(12(15)16)6-9(8)13/h4-6,13H,1-3H3
InChIKey
MNCYASOVEQTTRC-UHFFFAOYSA-N
Compound name
tert-butyl 2-hydroxy-4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

239.07938 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08666 149.1
[M+Na]+ 262.06860 156.3
[M-H]- 238.07210 152.1
[M+NH4]+ 257.11320 165.7
[M+K]+ 278.04254 151.3
[M+H-H2O]+ 222.07664 148.5
[M+HCOO]- 284.07758 171.1
[M+CH3COO]- 298.09323 182.9
[M+Na-2H]- 260.05405 155.8
[M]+ 239.07883 149.8
[M]- 239.07993 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe